3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide

C13H16F3NO3 — CID 171697825

IUPAC3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1cccc(O)c1)NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-8(6-9-4-3-5-10(18)7-9)17-11(19)12(2,20)13(14,15)16/h3-5,7-8,18,20H,6H2,1-2H3,(H,17,19)
InChIKeyAXEBZBWMHIOWQF-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.75
Rot. Bonds4

About 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide

3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 171697825) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide
PubChem CID171697825
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide
SMILESCC(Cc1cccc(O)c1)NC(=O)C(C)(O)C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-8(6-9-4-3-5-10(18)7-9)17-11(19)12(2,20)13(14,15)16/h3-5,7-8,18,20H,6H2,1-2H3,(H,17,19)
InChIKeyAXEBZBWMHIOWQF-UHFFFAOYSA-N
XLogP1.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
3-[2-(1,2,2-trifluoroethylamino)propyl]phenol
CID 175392255
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 115649433
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046
3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
CID 116592903
3-(2-sulfanylpropyl)phenol
CID 115013475
3-(4-cyanophenyl)-N-[1-(3-hydroxyphenyl)propan-2-yl]prop-2-enamide
CID 175311308
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
3-(2-nitropropyl)phenol
CID 55250663
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide (CID 171697825) is 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide is CC(Cc1cccc(O)c1)NC(=O)C(C)(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is AXEBZBWMHIOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-8(6-9-4-3-5-10(18)7-9)17-11(19)12(2,20)13(14,15)16/h3-5,7-8,18,20H,6H2,1-2H3,(H,17,19).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide?
3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 291.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 171697825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).